methyl 2-ethyl-3-oxo-4-propyl-1,4-benzoxazine-7-carboxylate

C15H19NO4 — CID 70261480

IUPACmethyl 2-ethyl-3-oxo-4-propyl-1,4-benzoxazine-7-carboxylate
SMILESCCCN1C(=O)C(CC)Oc2cc(C(=O)OC)ccc21
InChIInChI=1S/C15H19NO4/c1-4-8-16-11-7-6-10(15(18)19-3)9-13(11)20-12(5-2)14(16)17/h6-7,9,12H,4-5,8H2,1-3H3
InChIKeyGUGBKCDXJATPPD-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.39
Rot. Bonds4

About methyl 2-ethyl-3-oxo-4-propyl-1,4-benzoxazine-7-carboxylate

methyl 2-ethyl-3-oxo-4-propyl-1,4-benzoxazine-7-carboxylate (PubChem CID 70261480) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 2-ethyl-3-oxo-4-propyl-1,4-benzoxazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-3-oxo-4-propyl-1,4-benzoxazine-7-carboxylate
PubChem CID70261480
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 2-ethyl-3-oxo-4-propyl-1,4-benzoxazine-7-carboxylate
SMILESCCCN1C(=O)C(CC)Oc2cc(C(=O)OC)ccc21
InChIInChI=1S/C15H19NO4/c1-4-8-16-11-7-6-10(15(18)19-3)9-13(11)20-12(5-2)14(16)17/h6-7,9,12H,4-5,8H2,1-3H3
InChIKeyGUGBKCDXJATPPD-UHFFFAOYSA-N
XLogP2.39
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-3-oxo-4-propyl-1,4-benzoxazine-7-carboxylate?
The IUPAC name of methyl 2-ethyl-3-oxo-4-propyl-1,4-benzoxazine-7-carboxylate (CID 70261480) is methyl 2-ethyl-3-oxo-4-propyl-1,4-benzoxazine-7-carboxylate.
What is the SMILES notation for methyl 2-ethyl-3-oxo-4-propyl-1,4-benzoxazine-7-carboxylate?
The canonical SMILES for methyl 2-ethyl-3-oxo-4-propyl-1,4-benzoxazine-7-carboxylate is CCCN1C(=O)C(CC)Oc2cc(C(=O)OC)ccc21.
What is the InChIKey of methyl 2-ethyl-3-oxo-4-propyl-1,4-benzoxazine-7-carboxylate?
The InChIKey is GUGBKCDXJATPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-4-8-16-11-7-6-10(15(18)19-3)9-13(11)20-12(5-2)14(16)17/h6-7,9,12H,4-5,8H2,1-3H3.
What are the key properties of methyl 2-ethyl-3-oxo-4-propyl-1,4-benzoxazine-7-carboxylate?
methyl 2-ethyl-3-oxo-4-propyl-1,4-benzoxazine-7-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-3-oxo-4-propyl-1,4-benzoxazine-7-carboxylate is sourced from PubChem (CID 70261480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).